P   LATTICE,NONEQUIV.ATOMS   3  138 P42/ncm                                    
MODE OF CALC=RELA unit=bohr                                                    
  8.923854  8.923854 19.460400 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.75000000 Y=0.25000000 Z=0.75000000
          MULT= 4          ISPLIT=-2
      -1: X=0.25000000 Y=0.75000000 Z=0.25000000
      -1: X=0.75000000 Y=0.25000000 Z=0.25000000
      -1: X=0.25000000 Y=0.75000000 Z=0.75000000
Li         NPT=  781  R0=.000100000 RMT= 1.66        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.25000000 Y=0.25000000 Z=0.06960000
          MULT= 4          ISPLIT= 8
      -2: X=0.75000000 Y=0.75000000 Z=0.93040000
      -2: X=0.25000000 Y=0.25000000 Z=0.56960000
      -2: X=0.75000000 Y=0.75000000 Z=0.43040000
Cl         NPT=  781  R0=.000100000 RMT= 1.48        Z:  17.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.05650000 Y=0.05650000 Z=0.15750000
          MULT= 8          ISPLIT= 8
      -3: X=0.94350000 Y=0.94350000 Z=0.84250000
      -3: X=0.44350000 Y=0.05650000 Z=0.65750000
      -3: X=0.55650000 Y=0.94350000 Z=0.34250000
      -3: X=0.44350000 Y=0.44350000 Z=0.15750000
      -3: X=0.55650000 Y=0.55650000 Z=0.84250000
      -3: X=0.05650000 Y=0.44350000 Z=0.65750000
      -3: X=0.94350000 Y=0.55650000 Z=0.34250000
O          NPT=  781  R0=.000100000 RMT= 1.48        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000